Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 6/20 | 0.37 |
| ▸ | CA2 | P00918 | 6/20 | 0.37 |
| ▸ | CA12 | O43570 | 4/20 | 0.37 |
| ▸ | CA9 | Q16790 | 4/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.36 |
| ▸ | MC4R | P32245 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | NQO2 | P16083 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CCNC | P24863 | 1/20 | 0.34 |
| ▸ | CDK8 | P49336 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.33 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MGLL | Q99685 | 1/20 | 0.33 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL31514934 | 1.00 | COMT (0.47) | COMTCA1CA2CA12CA9 | |
| SCHEMBL31514944 | 0.91 | COMT (0.42) | COMTCA1CA2CA12CA9 | |
| SCHEMBL31514933 | 0.91 | COMT (0.42) | COMTCA1CA2CA12CA9 | |
| SCHEMBL29642848 | 0.87 | COMT (0.66) | COMTCA1CA2CA12CA9 | |
| SCHEMBL19015270 | 0.87 | COMT (0.66) | COMTCA1CA2CA12CA9 | |
| SCHEMBL31514935 | 0.84 | COMT (0.48) | COMTHSP90AA1HSP90AB1TDP1PRMT5 | |
| SCHEMBL31514938 | 0.84 | COMT (0.55) | COMTHSP90AA1HSP90AB1MC4RTSHR | |
| SCHEMBL31514936 | 0.80 | COMT (0.70) | COMTHSP90AA1HSP90AB1TDP1 | |
| SCHEMBL31514943 | 0.79 | COMT (0.55) | COMTHSP90AA1HSP90AB1TDP1TSHR | |
| SCHEMBL31514932 | 0.79 | COMT (0.55) | COMTHSP90AA1HSP90AB1TDP1TSHR |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3390351-B1 | NOVEL BICYCLIC-COMPOUNDS FOR USE AS A MEDICAMENT, IN PARTICULAR FOR TREATMENT OF PARKINSON'S DISEASE | KOESTER HUBERT (DE) | 2025-02-26 | — | — | EP | claimed |